(2S)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-methyl-2-(phenylsulfonylamino)butanamide

Systemtic Name: (2S)-N-(4-fluoranyl-3-morpholin-4-ylsulfonyl-phenyl)-3-methyl-2-(phenylsulfonylamino)butanamide Openeye Name: (2S)-2-(benzenesulfonamido)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-3-methyl-butanamide CAS Name: (2S)-2-(benzenesulfonamido)-N-[4-fluoro-3-(4-morpholinylsulfonyl)phenyl]-3-methylbutanamide IUPAC Name: (2S)-2-(benzenesulfonamido)-N-(4-fluoro-3-morpholin-4-ylsulfonylphenyl)-3-methylbutanamide Traditional Name: (2S)-2-(benzenesulfonamido)-N-(4-fluoro-3-morpholinosulfonyl-phenyl)-3-methyl-butyramide Formula: C21H26FN3O6S2 MolecularWeight: 499.576043

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C(=O)NC1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=CC=C3

Isomeric SMILES

CC(C)[C@@H](C(=O)NC1=CC(=C(C=C1)F)S(=O)(=O)N2CCOCC2)NS(=O)(=O)C3=CC=CC=C3

InChI

InChI=1S/C21H26FN3O6S2/c1-15(2)20(24-32(27,28)17-6-4-3-5-7-17)21(26)23-16-8-9-18(22)19(14-16)33(29,30)25-10-12-31-13-11-25/h3-9,14-15,20,24H,10-13H2,1-2H3,(H,23,26)/t20-/m0/s1